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95687-41-5 | trans-Benzyl 4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CAS No: 95687-41-5 Catalog No: AG003UZ8 MDL No:MFCD03427085
Product Description
Catalog Number:
AG003UZ8
Chemical Name:
trans-Benzyl 4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CAS Number:
95687-41-5
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD03427085
IUPAC Name:
benzyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H17NO4/c15-8-11-6-12(16)7-14(11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2/t11-,12+/m0/s1
InChI Key:
WDEQGLDWZMIMJM-NWDGAFQWSA-N
SMILES:
OC[C@@H]1C[C@H](CN1C(=O)OCc1ccccc1)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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